N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide

C15H21F3N2O — CID 79648191

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(C)(C)CN)C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-14(2,9-19)10-20(3)13(21)8-11-4-6-12(7-5-11)15(16,17)18/h4-7H,8-10,19H2,1-3H3
InChIKeyZHVMWNDGKYETTQ-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.69
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 79648191) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID79648191
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(C)(C)CN)C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-14(2,9-19)10-20(3)13(21)8-11-4-6-12(7-5-11)15(16,17)18/h4-7H,8-10,19H2,1-3H3
InChIKeyZHVMWNDGKYETTQ-UHFFFAOYSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119656004
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]butanamide
CID 119655169
N-(3-amino-2,2-dimethylpropyl)-2-(4-fluoro-3-methylphenyl)-N-methylacetamide
CID 115272555
1-(3-amino-2,2-dimethylpropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
CID 79647075
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-thiophen-3-ylacetamide
CID 79652303
N-(3-amino-2,2-dimethylpropyl)-2-(1,3-benzodioxol-5-yl)-N-methylacetamide
CID 119654330
2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55330788
N-(3-amino-2,2-dimethylpropyl)-2-(3-bromophenyl)-N-methylacetamide
CID 79652403
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-thiophen-2-ylacetamide
CID 79653255
2-(4-aminophenyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60892498
N-(3-amino-2,2-dimethylpropyl)-3-(4-fluorophenyl)-N-methylpropanamide;hydrochloride
CID 119652327
N-(3-aminopropyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62114184

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide (CID 79648191) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide is CN(CC(C)(C)CN)C(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZHVMWNDGKYETTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-14(2,9-19)10-20(3)13(21)8-11-4-6-12(7-5-11)15(16,17)18/h4-7H,8-10,19H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 302.34 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 79648191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).